Butanethioic acid, S-butyl ester
TL;DR: Butanethioic acid, S-butyl ester (CAS 2432-52-2) is a chemical compound with molecular formula C8H16OS and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-butyl butanethioate
Also Known As: S-Butyl butanethioate, Butanethioic acid, S-butyl ester, S-Butyl butanethioate #, Butanethioic acid S-butyl ester, Butyric acid, thio-, S-sec-butyl ester
| Molecular Formula | C8H16OS |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.0922 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 2432-52-2 |
|---|---|
| SMILES | CCCCSC(=O)CCC |
| InChIKey | TVAOSCZFXGSPMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanethioic acid, S-butyl ester (CAS 2432-52-2), with molecular formula C8H16OS and molecular weight 160.09 g/mol. IUPAC: S-butyl butanethioate.
Chemical Property Profile of Butanethioic acid, S-butyl ester
Property Insights of Butanethioic acid, S-butyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanethioic acid, S-butyl ester. With a topological polar surface area (TPSA) of 42.4 Ų, Butanethioic acid, S-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanethioic acid, S-butyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanethioic acid, S-butyl ester?
The CAS number of Butanethioic acid, S-butyl ester is 2432-52-2.
What is the molecular formula of Butanethioic acid, S-butyl ester?
The molecular formula of Butanethioic acid, S-butyl ester is C8H16OS.
What is the molecular weight of Butanethioic acid, S-butyl ester?
The molecular weight of Butanethioic acid, S-butyl ester is 160.09 g/mol.
Where can I buy Butanethioic acid, S-butyl ester?
You can request a quote for Butanethioic acid, S-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanethioic acid, S-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanethioic acid, S-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.